1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]propan-1-one

C12H18O2 — CID 67368966

IUPAC1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]propan-1-one
SMILESCCC(=O)C1C(C)=CC=C1CCOC
InChIInChI=1S/C12H18O2/c1-4-11(13)12-9(2)5-6-10(12)7-8-14-3/h5-6,12H,4,7-8H2,1-3H3
InChIKeyBMKHRUMLXJWAEQ-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.50
Rot. Bonds5

About 1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]propan-1-one

1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]propan-1-one (PubChem CID 67368966) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]propan-1-one
PubChem CID67368966
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]propan-1-one
SMILESCCC(=O)C1C(C)=CC=C1CCOC
InChIInChI=1S/C12H18O2/c1-4-11(13)12-9(2)5-6-10(12)7-8-14-3/h5-6,12H,4,7-8H2,1-3H3
InChIKeyBMKHRUMLXJWAEQ-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]propan-1-one?
The IUPAC name of 1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]propan-1-one (CID 67368966) is 1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]propan-1-one?
The canonical SMILES for 1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]propan-1-one is CCC(=O)C1C(C)=CC=C1CCOC.
What is the InChIKey of 1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]propan-1-one?
The InChIKey is BMKHRUMLXJWAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-11(13)12-9(2)5-6-10(12)7-8-14-3/h5-6,12H,4,7-8H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]propan-1-one?
1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]propan-1-one has a molecular weight of 194.27 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]propan-1-one is sourced from PubChem (CID 67368966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).